Crystallography Open Database

Information card for entry 2242476

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Structure parameters

Common name	5-[2-(2,4,6-Tribromophenyl)diazenyl]tropolone
Chemical name	2-Hydroxy-5-[2-(2,4,6-tribromophenyl)diazen-1-yl]cyclohepta-2,4,6-trien-1-one
Formula	C13 H7 Br3 N2 O2
Calculated formula	C13 H7 Br3 N2 O2
SMILES	c1(=O)c(ccc(cc1)/N=N/c1c(cc(cc1Br)Br)Br)O
Title of publication	Crystal structure of 5-[2-(2,4,6-tribromophenyl)diazenyl]tropolone
Authors of publication	Hill, Tania N.; Savig, Kelsey L.; Lemmerer, Andreas
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	5
Pages of publication	709 - 712
a	18.1742 ± 0.0003 Å
b	4.7885 ± 0.0001 Å
c	16.0308 ± 0.0003 Å
α	90°
β	104.56 ± 0.001°
γ	90°
Cell volume	1350.31 ± 0.04 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for all reflections included in the refinement	0.051
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
207562 (current)	2018-04-30	cif/ hkl/ Adding structures of 2242476 via cif-deposit CGI script.	2242476.cif 2242476.hkl